1-cyclopropyl-2,2-dimethylheptan-3-amine

C12H25N — CID 134293473

IUPAC1-cyclopropyl-2,2-dimethylheptan-3-amine
SMILESCCCCC(N)C(C)(C)CC1CC1
InChIInChI=1S/C12H25N/c1-4-5-6-11(13)12(2,3)9-10-7-8-10/h10-11H,4-9,13H2,1-3H3
InChIKeyFLKDQDPLWHTYAZ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.33
Rot. Bonds6

About 1-cyclopropyl-2,2-dimethylheptan-3-amine

1-cyclopropyl-2,2-dimethylheptan-3-amine (PubChem CID 134293473) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-cyclopropyl-2,2-dimethylheptan-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-2,2-dimethylheptan-3-amine
PubChem CID134293473
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-cyclopropyl-2,2-dimethylheptan-3-amine
SMILESCCCCC(N)C(C)(C)CC1CC1
InChIInChI=1S/C12H25N/c1-4-5-6-11(13)12(2,3)9-10-7-8-10/h10-11H,4-9,13H2,1-3H3
InChIKeyFLKDQDPLWHTYAZ-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethylnonan-5-amine
CID 87513740
1-cyclohexyl-2,2-dimethylheptan-3-ol
CID 23080935
4,4-dimethylicosan-5-amine;hydrobromide
CID 173152006
2,2-difluoroheptan-3-amine
CID 130605107
1,1,1-trifluorohexan-2-amine
CID 50998628
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
2-(cyclopropylmethyl)-2-methylhexanal
CID 141352242
1,3-dicyclopropyl-2,2-dimethylpropan-1-ol
CID 141352215
2,2-dimethyldodecan-3-amine
CID 43370499
(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride
CID 171203125
(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
1,2-diaminohexane-1,1-diol
CID 19776231

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,2-dimethylheptan-3-amine?
The IUPAC name of 1-cyclopropyl-2,2-dimethylheptan-3-amine (CID 134293473) is 1-cyclopropyl-2,2-dimethylheptan-3-amine.
What is the SMILES notation for 1-cyclopropyl-2,2-dimethylheptan-3-amine?
The canonical SMILES for 1-cyclopropyl-2,2-dimethylheptan-3-amine is CCCCC(N)C(C)(C)CC1CC1.
What is the InChIKey of 1-cyclopropyl-2,2-dimethylheptan-3-amine?
The InChIKey is FLKDQDPLWHTYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-5-6-11(13)12(2,3)9-10-7-8-10/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 1-cyclopropyl-2,2-dimethylheptan-3-amine?
1-cyclopropyl-2,2-dimethylheptan-3-amine has a molecular weight of 183.34 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,2-dimethylheptan-3-amine is sourced from PubChem (CID 134293473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).